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Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …
polaritons, are formed due to quantum light–matter interactions. With the experimental …
Cavity-enhanced energy transport in molecular systems
Molecules are the building blocks of all of nature's functional components, serving as the
machinery that captures, stores and releases energy or converts it into useful work …
machinery that captures, stores and releases energy or converts it into useful work …
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
The developments of the open-source OpenMolcas chemistry software environment since
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
Computational models are an essential tool for the design, characterization, and discovery
of novel materials. Computationally hard tasks in materials science stretch the limits of …
of novel materials. Computationally hard tasks in materials science stretch the limits of …
[HTML][HTML] Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (HEOM)
An open quantum system refers to a system that is further coupled to a bath system
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …
consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is …
Single ion qubit with estimated coherence time exceeding one hour
Realizing a long coherence time quantum memory is a major challenge of current quantum
technology. Until now, the longest coherence-time of a single qubit was reported as 660 s in …
technology. Until now, the longest coherence-time of a single qubit was reported as 660 s in …
All-mode quantum–classical path integral simulation of bacteriochlorophyll dimer exciton-vibration dynamics
We use the quantum–classical path integral (QCPI) methodology to report numerically exact,
fully quantum mechanical results for the exciton-vibration dynamics in the …
fully quantum mechanical results for the exciton-vibration dynamics in the …
[ספר][B] The Jaynes–Cummings model and its descendants: modern research directions
J Larson, T Mavrogordatos - 2021 - iopscience.iop.org
The Jaynes–Cummings Model (JCM) has recently been receiving increased attention as
one of the simplest, yet intricately nonlinear, models of quantum physics. Emphasising the …
one of the simplest, yet intricately nonlinear, models of quantum physics. Emphasising the …
Luminescence in crystalline organic materials: from molecules to molecular solids
Luminescent small, all‐organic molecules are of tremendous interest in materials and life
science applications. Nevertheless, targeted design requires a basic understanding of the …
science applications. Nevertheless, targeted design requires a basic understanding of the …
Long-range exciton diffusion in molecular non-fullerene acceptors
The short exciton diffusion length associated with most classical organic semiconductors
used in organic photovoltaics (5-20 nm) imposes severe limits on the maximum size of the …
used in organic photovoltaics (5-20 nm) imposes severe limits on the maximum size of the …